N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide

C16H14N2O3 — CID 7526326

IUPACN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccco1
InChIInChI=1S/C16H14N2O3/c19-14-4-3-10-8-12(9-11-5-6-18(14)15(10)11)17-16(20)13-2-1-7-21-13/h1-2,7-9H,3-6H2,(H,17,20)
InChIKeyRRAQIJWKKBBPGR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.37
Rot. Bonds2

About N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide

N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide (PubChem CID 7526326) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide
PubChem CID7526326
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccco1
InChIInChI=1S/C16H14N2O3/c19-14-4-3-10-8-12(9-11-5-6-18(14)15(10)11)17-16(20)13-2-1-7-21-13/h1-2,7-9H,3-6H2,(H,17,20)
InChIKeyRRAQIJWKKBBPGR-UHFFFAOYSA-N
XLogP2.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide
CID 7526319
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide
CID 7526270
N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384044
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
N-(2,3-dimethylphenyl)-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577975
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
CID 7687540

Frequently Asked Questions

What is the IUPAC name of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide?
The IUPAC name of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide (CID 7526326) is N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide is O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccco1.
What is the InChIKey of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide?
The InChIKey is RRAQIJWKKBBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-14-4-3-10-8-12(9-11-5-6-18(14)15(10)11)17-16(20)13-2-1-7-21-13/h1-2,7-9H,3-6H2,(H,17,20).
What are the key properties of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide?
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide is sourced from PubChem (CID 7526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).